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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-Benzoyl-1H-benzotriazole - ≥97% , CAS No.4231-62-3
Synonyms
1-BENZOYL-1H-BENZOTRIZOLE 97 | BRD-K38804290-001-08-8 | N,N,N',N'-TETRAMETHYL-10H-PHENOTHIAZINE-3,7-DIAMINIUM BIS(METHANESULFONATE) | Benzotriazol-1-yl-phenyl-methanone | N-Benzoylbenzotriazolen | 1-Benzoyl-1H-benzotriazole, 97% | DTXSID30341099 | AKOS00
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
1-BENZOYL-1H-BENZOTRIZOLE 97 | BRD-K38804290-001-08-8 | N, N, N', N'-TETRAMETHYL-10H-PHENOTHIAZINE-3, 7-DIAMINIUM BIS(METHANESULFONATE) | Benzotriazol-1-yl-phenyl-methanone | N-Benzoylbenzotriazolen | 1-Benzoyl-1H-benzotriazole, 97% | DTXSID30341099 | AKOS00
Specifications & Purity
≥97%
Names and Identifiers Pubchem Sid 504759298 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504759298 Canonical Smiles C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2 IUPAC Name benzotriazol-1-yl(phenyl)methanone InChIKey UJEMOXPSTTXLRE-UHFFFAOYSA-N INCHI 1S/C13H9N3O/c17-13(10-6-2-1-3-7-10)16-12-9-5-4-8-11(12)14-15-16/h1-9H Isomeric SMILES C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2 WGK Germany 3 Molecular Weight 223.23 Reaxy-Rn 181820 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=181820&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzotriazoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzotriazoles Alternative Parents Benzoic acids and derivatives Benzoyl derivatives Triazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzoic acid or derivatives - Benzotriazole - Benzoyl - Monocyclic benzene moiety - Benzenoid - Azole - Triazole - 1,2,3-triazole - Heteroaromatic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzotriazoles. These are organic compounds containing a benzene fused to a triazole ring (a five-membered ring with two carbon atoms and three nitrogen atoms). External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 91-93℃ Molecular Weight 223.230 g/mol XLogP3 2.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 223.075 Da Monoisotopic Mass 223.075 Da Topological Polar Surface Area 47.800 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 288.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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